2-[2,5-dimethyl-1-(4-propan-2-ylphenyl)pyrrol-3-yl]ethanoic acid

Systemtic Name: 2-[2,5-dimethyl-1-(4-propan-2-ylphenyl)pyrrol-3-yl]ethanoic acid Openeye Name: 2-[1-(4-isopropylphenyl)-2,5-dimethyl-pyrrol-3-yl]acetic acid CAS Name: 2-[2,5-dimethyl-1-(4-propan-2-ylphenyl)-3-pyrrolyl]acetic acid IUPAC Name: 2-[2,5-dimethyl-1-(4-propan-2-ylphenyl)pyrrol-3-yl]acetic acid Traditional Name: 2-(2,5-dimethyl-1-p-cumenyl-pyrrol-3-yl)acetic acid Formula: C17H21NO2 MolecularWeight: 271.35414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(C)C)C)CC(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(C)C)C)CC(=O)O

InChI

InChI=1S/C17H21NO2/c1-11(2)14-5-7-16(8-6-14)18-12(3)9-15(13(18)4)10-17(19)20/h5-9,11H,10H2,1-4H3,(H,19,20)